butyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate

Systemtic Name: butyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: butyl 3-oxo-2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]-3-oxohexanoic acid butyl ester IUPAC Name: butyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxohexanoate Traditional Name: 3-keto-2-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]hexanoic acid butyl ester Formula: C24H36O5S MolecularWeight: 436.60464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)CCC)SC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CCCCOC(=O)C(C(=O)CCC)SC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

InChI=1S/C24H36O5S/c1-3-5-16-29-24(26)23(21(25)9-4-2)30-20-14-12-19(13-15-20)10-8-18-28-22-11-6-7-17-27-22/h12-15,22-23H,3-11,16-18H2,1-2H3